Consistent kinetic-continuum dissociation model. II. Continuum formulation and verification

Narendra Singh, Thomas Schwartzentruber

Research output: Contribution to journalArticlepeer-review

9 Scopus citations


In this article, we implement a recently developed non-equilibrium chemical kinetics model [N. Singh and T. Schwartzentruber, J. Chem. Phys. 152, 224302 (2020)] based on ab initio simulation data and perform verification studies. Direct molecular simulation data are used to verify the predictive capabilities of the model. Using the model, dominant physics, such as the need for a rotational energy equation, and the quantitative role of non-Boltzmann effects are identified. Based on the analysis and reasonable assumptions, a simplified model for implementation into large-scale computational fluid dynamic simulations is proposed. Without incurring additional computational cost, the model can be used in existing flow solvers to analyze hypersonic flows.

Original languageEnglish (US)
Pages (from-to)224303
Number of pages1
JournalThe Journal of chemical physics
Issue number22
StatePublished - Jun 14 2020

PubMed: MeSH publication types

  • Journal Article


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